3-chloro-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide

C17H12ClFN2OS — CID 95932121

IUPAC3-chloro-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
SMILESO=C(N[C@H](c1ccc(F)cc1)c1cccs1)c1ccncc1Cl
InChIInChI=1S/C17H12ClFN2OS/c18-14-10-20-8-7-13(14)17(22)21-16(15-2-1-9-23-15)11-3-5-12(19)6-4-11/h1-10,16H,(H,21,22)/t16-/m1/s1
InChIKeyBMYBQVVANOZGMJ-MRXNPFEDSA-N
MW346.81 g/mol
LogP4.45
Rot. Bonds4

About 3-chloro-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide

3-chloro-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide (PubChem CID 95932121) has the molecular formula C17H12ClFN2OS and a molecular weight of 346.81 g/mol. Its IUPAC name is 3-chloro-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
PubChem CID95932121
Molecular FormulaC17H12ClFN2OS
Molecular Weight346.81 g/mol
Exact Mass346.03
IUPAC Name3-chloro-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
SMILESO=C(N[C@H](c1ccc(F)cc1)c1cccs1)c1ccncc1Cl
InChIInChI=1S/C17H12ClFN2OS/c18-14-10-20-8-7-13(14)17(22)21-16(15-2-1-9-23-15)11-3-5-12(19)6-4-11/h1-10,16H,(H,21,22)/t16-/m1/s1
InChIKeyBMYBQVVANOZGMJ-MRXNPFEDSA-N
XLogP4.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
CID 99812951
2,6-dichloro-5-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
CID 51135593
2-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46601354
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-2-carboxamide
CID 25435351
3,4,5-trichloro-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-2-carboxamide
CID 26193106
3-[(3-chloropyridine-4-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 66482357
2-chloro-4-fluoro-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 129354884
3-chloro-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]pyridine-4-carboxamide
CID 91643691
3-chloro-N-[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]pyridine-4-carboxamide
CID 95932136
3-chloro-N-(3-hydroxy-1-thiophen-2-ylpropyl)pyridine-4-carboxamide
CID 75393355
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41099331

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide (CID 95932121) is 3-chloro-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide is O=C(N[C@H](c1ccc(F)cc1)c1cccs1)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide?
The InChIKey is BMYBQVVANOZGMJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H12ClFN2OS/c18-14-10-20-8-7-13(14)17(22)21-16(15-2-1-9-23-15)11-3-5-12(19)6-4-11/h1-10,16H,(H,21,22)/t16-/m1/s1.
What are the key properties of 3-chloro-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide?
3-chloro-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide has a molecular weight of 346.81 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide is sourced from PubChem (CID 95932121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).